1-[(2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine

C16H26N2O — CID 64846874

IUPAC1-[(2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
SMILESCOc1ccccc1CN1CC(C)NCC1C(C)C
InChIInChI=1S/C16H26N2O/c1-12(2)15-9-17-13(3)10-18(15)11-14-7-5-6-8-16(14)19-4/h5-8,12-13,15,17H,9-11H2,1-4H3
InChIKeyCWCOUEPQYKTCFX-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.51
Rot. Bonds4

About 1-[(2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine

1-[(2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine (PubChem CID 64846874) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
PubChem CID64846874
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[(2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
SMILESCOc1ccccc1CN1CC(C)NCC1C(C)C
InChIInChI=1S/C16H26N2O/c1-12(2)15-9-17-13(3)10-18(15)11-14-7-5-6-8-16(14)19-4/h5-8,12-13,15,17H,9-11H2,1-4H3
InChIKeyCWCOUEPQYKTCFX-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-1-[(2-methoxyphenyl)methyl]-2-propan-2-ylpiperazine
CID 64861840
(2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine
CID 46705371
1-[(3-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64844307
(3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine
CID 95443854
5-ethyl-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine
CID 64840938
1-[(3,4-dimethylphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64844500
1-[(5-bromo-2-methoxyphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64843482
1-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64849507
1-[(2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
CID 64846377
1-[(2-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 63863865
(2R)-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine
CID 82755826
1-benzyl-2-butan-2-yl-5-methylpiperazine
CID 64845112

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine (CID 64846874) is 1-[(2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine is COc1ccccc1CN1CC(C)NCC1C(C)C.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is CWCOUEPQYKTCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)15-9-17-13(3)10-18(15)11-14-7-5-6-8-16(14)19-4/h5-8,12-13,15,17H,9-11H2,1-4H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine?
1-[(2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 262.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64846874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).